diff options
author | Karl Berry <karl@freefriends.org> | 2011-04-23 22:39:48 +0000 |
---|---|---|
committer | Karl Berry <karl@freefriends.org> | 2011-04-23 22:39:48 +0000 |
commit | 59c2fb860cfc7f447fded1f644421e4ee9bff956 (patch) | |
tree | 94338038fd674d5653722e937d0b76c1183bea61 /Master/texmf-dist/doc/latex/mychemistry/examples.tex | |
parent | e3cf4b9e3f515cb071141c031fb4c688ee2c9ce4 (diff) |
mychemistry 1.5 (23apr11)
git-svn-id: svn://tug.org/texlive/trunk@22176 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/doc/latex/mychemistry/examples.tex')
-rw-r--r-- | Master/texmf-dist/doc/latex/mychemistry/examples.tex | 1071 |
1 files changed, 1071 insertions, 0 deletions
diff --git a/Master/texmf-dist/doc/latex/mychemistry/examples.tex b/Master/texmf-dist/doc/latex/mychemistry/examples.tex new file mode 100644 index 00000000000..2dba57f652d --- /dev/null +++ b/Master/texmf-dist/doc/latex/mychemistry/examples.tex @@ -0,0 +1,1071 @@ +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% ------------------------------------------------------------------------------------- % +% - myChemistry - mychemistry_en.tex -------------------------------------------------- % +% - Creating reaction schemes with LaTeX and ChemFig ---------------------------------- % +% ------------------------------------------------------------------------------------- % +% - Clemens Niederberger -------------------------------------------------------------- % +% - 2011/04/23 ------------------------------------------------------------------------ % +% ------------------------------------------------------------------------------------- % +% - http://www.niederberger-berlin.net/2011/02/latex-mychemistry/ --------------------- % +% - kontakt@niederberger-berlin.net --------------------------------------------------- % +% ------------------------------------------------------------------------------------- % +% - If you have any ideas, questions, suggestions or bugs to report, please feel free - % +% - to contact me. -------------------------------------------------------------------- % +% ------------------------------------------------------------------------------------- % +% - Copyright 2011 Clemens Niederberger - % +% - - % +% - This work may be distributed and/or modified under the - % +% - conditions of the LaTeX Project Public License, either version 1.3 - % +% - of this license or (at your option) any later version. - % +% - The latest version of this license is in - % +% - http://www.latex-project.org/lppl.txt - % +% - and version 1.3 or later is part of all distributions of LaTeX - % +% - version 2005/12/01 or later. - % +% - - % +% - This work has the LPPL maintenance status `maintained'. - % +% - - % +% - The Current Maintainer of this work is Clemens Niederberger. - % +% - - % +% - This work consists of the files mychemistry.sty, mychemistry_de.tex, - % +% - mychemistry_en.tex and bondwidth.tex - % +% ------------------------------------------------------------------------------------- % +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +\documentclass[DIV10,titlepage,toc=index]{scrartcl} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% - Pakete ---------------------------------------------------------------------------- % +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +\usepackage{standalone} +\usepackage{scrhack} % verbessert KOMAs Zusammenspiel mit floats +\usepackage{emerald} % chemfig-Schrift +\usepackage[utf8x]{inputenc} % Zeichenkodierung: Eingabe +\usepackage[T1]{fontenc} % Text-Ausgabe-Codierung +\usepackage{textcomp,mathcomp} +\usepackage[english]{babel} % Sprache +\usepackage{xspace,paralist} % xspace und Listen +\usepackage{siunitx} + \DeclareSIUnit{\emlength}{em} + \DeclareSIUnit{\pt}{pt} + \sisetup{separate-uncertainty = true, + exponent-product = \cdot, + per-mode = symbol} +\usepackage{listings,fancyvrb} % wortwörtliche Anzeige + \newcommand{\vitem}[1][]{\SaveVerb[aftersave={\item[\textnormal{\UseVerb[#1]{vsave}}]}]{vsave}} +\usepackage[perpage,multiple]{footmisc} % Fußnoten +\usepackage[ngerman]{varioref} % flexibles Referenzieren + \labelformat{section}{section #1} + \labelformat{subsection}{section #1} + \labelformat{subsubsection}{section #1} +\usepackage[dvipsnames]{xcolor} % Farbe + \colorlet{code}{RawSienna} + \xdefinecolor{MyDarkRed}{rgb}{0.4392,0.0627,0.0627} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% - Hyperlinks ------------------------------------------------------------------------ % +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +\usepackage{hyperref} + \hypersetup{colorlinks=true, % Setup der Hyperlinks und des pdf + linkcolor=MyDarkRed!20!red, + urlcolor=blue!70, + plainpages=false, + bookmarksopen=true, + bookmarksopenlevel=2, + bookmarksnumbered=true, + pdfstartview=FitH, + pdfauthor={Clemens Niederberger}, + pdftitle={myChemistry - Examples}, + pdfsubject={Create reaction schemes with LaTeX and ChemFig}, + pdfkeywords={myChemistry}, + pdfcreator={LaTeX} + } +\usepackage[english,color=MyDarkRed]{mychemistry} % myChemistry +\renewcommand\thebeispiel{\arabic{beispiel}} % chemexec angepasst + \labelformat{beispiel}{example #1} + \labelformat{rxnfloat}{scheme #1} +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% - Listings anpassen ----------------------------------------------------------------- % +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +\fvset{numbers=left,numbersep=3pt,xleftmargin=20pt,gobble=0,numberblanklines=true} +\lstset{literate={ä}{{\"a}}1 {ö}{{\"o}}1 {ü}{{\"u}}1 {Ä}{{\"A}}1 {Ö}{{\"O}}1 {Ü}{{\"U}}1 {ß}{{\ss}}1} +\lstset{ + language=[LaTeX]TeX, + basicstyle={\ttfamily}, % Grundstil + extendedchars=true, + numbers=left, % Zeilennummern + numberstyle=\tiny, % Größe des Zeilennummern + numberblanklines=true, % Leerzeilen nummerieren + gobble=0, % das erste Leerzeichen abschneiden + xleftmargin=20pt, % Einrückung links + breaklines=true, % Zeilenumbruch + moredelim=[is][\color{red!25!purple}]{!!}{!!},% Hervorhebung + commentstyle={\color[named]{Gray}}, + emph={begin,end}, % Umgebungen hervorheben + emphstyle=\color{red}, + keywordstyle=\color{code}, + keywordstyle=[20]\color{blue}, + morekeywords=[20]{rxn,rxnfloat,rxnscheme,tikzpicture}, + texcsstyle=[30]\color{code}, + moretexcs=[30]{anywhere,arrow,branch,chemabove,chemand,chembelow,chemfig,chemmove,chemname,chemrel,chemsign,ce,color,compound,declarecompound,draw,dummy,elmove,floatplacement,floatstyle,Hpl,Hyd,lewis,listof,makeinvisible,makevisible,marrow,mCsetup,merge,mesomeric,node,nu,om,op,ox,pgfpositionnodelater,reactant,restylefloat,setarrowlength,setarrowline,setatomsep,setatomsize,setbondlength,setbondshape,setbondwidth,setcrambond,setmergelength,setrcndist,setrxnalign,setschemealign,setschemename,si,SI,textcolor,transition,vflipnext}, + fancyvrb=true + } + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% - Kopf- und Fußzeile ---------------------------------------------------------------- % +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +\usepackage{scrpage2} +\pagestyle{scrheadings} +\setheadwidth{textwithmarginpar} +\automark{section} +\ihead{\mC v\mCversion} +\ohead{\bfseries Examples} +\ifoot{\small\color{gray}-~page~\thepage~-} +\cfoot{} +\ofoot{} + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% - Komascript ------------------------------------------------------------------------ % +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +\setkomafont{disposition}{\rmfamily\bfseries} % Gewicht fett und Schriftart roman + +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% - neue Befehle ---------------------------------------------------------------------- % +%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% +% - weitere Makros -------------------------------------------------------------------- % +\newcommand{\mC}{{\color{MyDarkRed}\ECFJD my\-Chemis\-try}\xspace} % Paketname +\newcommand{\CF}{{\ECFAugie ChemFig}\xspace} % ChemFig in der originalen Schrift +\newcommand{\eg}{\mbox{e.\,g.}\xspace} +\newcommand{\TikZ}{\mbox{Ti{\bfseries\itshape k}Z}\xspace} +\newcommand*\scrom{\scriptstyle\ominus} +\newcommand*\scrop{\scriptstyle\oplus} +\begin{document} +\begin{titlepage} + % inspired by the titlepage of chemfig's documentation + \begin{tikzpicture}[remember picture,overlay] + \shade [color=MyDarkRed,right color=white](current page.south west) rectangle ([yshift=3cm,xshift=-3cm]current page.center); + \shade[top color=black,bottom color=MyDarkRed]([yshift=7cm]current page.east)rectangle([yshift=2.5cm]current page.west); + \node[text width=\textwidth,opacity=.15,yshift=-5.3cm] at (current page.center) {% +\begin{verbatim} + \begin{rxn}[,.7] + \setatomsep{1.5em}\footnotesize + \reactant[,a]{ + \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3) + (-[6]OH)-CH_3} + } + \arrow[a.20]{}{} + \reactant[20]{ + \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2} + \chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1} + {10:4mm}{e2}{-10:4mm} + } + \arrow[,,1.42]{$-\ce{H2O}$}{} + \reactant{ + \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2] + *6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} + } + \arrow[a.-20,-|>]{}{} + \reactant[-20]{ + \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3) + (-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3} + {170:4mm}{e4}{-170:4mm} + } + \arrow[,,1.42]{$-\ce{H2O}$}{} + \reactant{ + \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)- + \chembelow{C}{\oplus}(-[2]CH_3)-CH_3} + } + \end{rxn} +\end{verbatim}% +}; + \end{tikzpicture} + \begin{center} + \scalebox{4}{\mC}\par + \Large v\mCversion\par\bigskip + \footnotesize\mCdate{en}\par + \normalsize Clemens Niederberger\par\vskip1.5cm + \scalebox{3}{\color{white}Examples}% + \end{center} + \vskip3cm +\begin{rxn}[,.7] + \setatomsep{1.5em}\footnotesize + \reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} } + \arrow[a.20]{}{} + \reactant[20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} } + \arrow[,,1.42]{$-\ce{H2O}$}{} + \reactant{ \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{} + \arrow[a.-20,-|>]{}{} + \reactant[-20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} } + \arrow[,,1.42]{$-\ce{H2O}$}{} + \reactant{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\oplus}(-[2]CH_3)-CH_3} } +\end{rxn} +\end{titlepage} + +\begin{abstract} + Since the documentation is already long enough, I decided to provide an extra file containing only examples and a few words where to find possibly interesting code. +\end{abstract} + +\listof{rxnfloat}{Example Schemes} + +\section{Addition Reaction}\label{sec:addition} +A simple reaction scheme with two different products. +\begin{rxnscheme}[,H]{Addition Reaction} + \reactant{ \chemfig{=_[::-30]-[::60](=[::60]O)-[::-60]} } + \arrow{ $+ \Hpl$ }{} + \mesomeric[,rf]{ + \reactant{ \chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120,.3,,,white]\oplus)-[::-60]} } + \marrow[below] + \reactant[below]{ \chemfig{\oplus-[6,.3,,,white]-[:-30]=_[::60](-[::60]OH)-[::-60]} } + } + \branch[right=of rf,,yshift=3em]{ + \arrow{}{} + \reactant{ \chemname{\chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120]R)-[::-60]}}{1,2-adduct} } + } + \branch[right=of rf,,yshift=-5em]{ + \arrow{}{} + \reactant{ \chemname{\chemfig{R-[6]-[:-30]=_[::60](-[::60]OH)-[::-60]}}{1,4-adduct} } + } +\end{rxnscheme} + +\begin{lstlisting} + \begin{rxnscheme}[,H]{Addition Reaction} + \reactant{ \chemfig{=_[::-30]-[::60](=[::60]O)-[::-60]} } + \arrow{ $+ \Hpl$ }{} + \mesomeric[,rf]{ + \reactant{ \chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120,.3,,,white]\oplus)-[::-60]} } + \marrow[below] + \reactant[below]{ \chemfig{\oplus-[6,.3,,,white]-[:-30]=_[::60](-[::60]OH)-[::-60]} } + } + \branch[right=of rf,,yshift=3em]{ + \arrow{}{} + \reactant{ \chemname{\chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120]R)-[::-60]}}{1,2-adduct} } + } + \branch[right=of rf,,yshift=-5em]{ + \arrow{}{} + \reactant{ \chemname{\chemfig{R-[6]-[:-30]=_[::60](-[::60]OH)-[::-60]}}{1,4-adduct} } + } + \end{rxnscheme} +\end{lstlisting} + +\section{Mesomerism} +\begin{rxnscheme}[,H,,.8]{Mesomerism} + \setatomsep{1.6em} + \reactant[,start]{ \chemname{\chemfig{*6(-=-=(-[,,,,white]\phantom{Br})-=)}}{benzene \compound{benzene}} } + \arrow[,,2.8]{}{} + \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \compound{bromobenzene}} } + \arrow[start.below,,,pfeil_a]{\ce{Br2 / AlBr3}}{$-\ce{AlBr4\om}$} + \mesomeric[pfeil_a.below,mesomerism,xshift=8.5em,yshift=-2.5em]{ + \reactant{ + \chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\oplus)-[@{e2}])} + \elmove{e1}{60:4mm}{e2}{0:4mm} + } + \marrow + \reactant{ + \chemfig{*6(-(-[:90,.4,,,white]\oplus)-[@{e4}]=[@{e3}]-(-[:120]Br)(-[:60]H)-=)} + \elmove{e3}{180:4mm}{e4}{150:4mm} + } + \marrow + \reactant{ + \chemfig{*6(-=-(-[:-150,.4,,,white]\oplus)-(-[:120]Br)(-[:60]H)-=)} + } + } + \branch[above=of mesomerism,,xshift=7.5em]{ + \arrow[above]{$-\Hpl$}{} + } +\end{rxnscheme} +If you put something relative to an arrow you might have to consider, that the arrow's anchor point is in the middle of the arrow. That's why \lstinline+\mesomeric+ is shifted with \lstinline+yshift=-2.5em+ in line 9. +\begin{lstlisting} + \begin{rxnscheme}[,H,,.8]{Mesomerism} + \setatomsep{1.6em} + % main reaction: + \reactant[,start]{ \chemname{\chemfig{*6(-=-=(-[,,,,white]\phantom{Br})-=)}}{benzene \compound{benzene}} } + \arrow[,,2.8]{}{} + \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \compound{bromobenzene}} } + % branch: + \arrow[start.below,,,pfeil_a]{\ce{Br2 / AlBr3}}{$-\ce{AlBr4\om}$} + \mesomeric[!!pfeil_a.below!!,mesomerism,xshift=8.5em,!!yshift=-2.5em!!]{ + \reactant{ + \chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\oplus)-[@{e2}])} + \elmove{e1}{60:4mm}{e2}{0:4mm} + } + \marrow + \reactant{ + \chemfig{*6(-(-[:90,.4,,,white]\oplus)-[@{e4}]=[@{e3}]-(-[:120]Br)(-[:60]H)-=)} + \elmove{e3}{180:4mm}{e4}{150:4mm} + } + \marrow + \reactant{ + \chemfig{*6(-=-(-[:-150,.4,,,white]\oplus)-(-[:120]Br)(-[:60]H)-=)} + } + } + % last arrow inside a branch, since it cannot be shifted by itself: + \branch[above=of mesomerism,,xshift=7.5em]{ + \arrow[above]{$-\Hpl$}{} + } + \end{rxnscheme} +\end{lstlisting} + +\section{The Titlepage} +\begin{rxnscheme}[,,,.7]{The Titlepage} + \setatomsep{1.5em}\footnotesize + \reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} } + \arrow[a.20]{}{} + \reactant[20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} } + \arrow[,,1.42]{$-\ce{H2O}$}{} + \reactant{ \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{} + \arrow[a.-20,-|>]{}{} + \reactant[-20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} } + \arrow[,,1.42]{$-\ce{H2O}$}{} + \reactant[,end]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\oplus}(-[2]CH_3)-CH_3} } + \anywhere{below=of end}{} +\end{rxnscheme} + +\begin{lstlisting} + \begin{rxn}[,.7] + \setatomsep{1.5em}\footnotesize + % reaction above: + \reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} } + \arrow[a.45]{}{} + \reactant[45]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\oplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} } + \arrow[,,1.42]{$-\ce{H2O}$}{} + \reactant{ \chemfig{\chembelow{C}{\oplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{} + % going down: + \arrow[a.-45,-|>]{}{} + \reactant[-45]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\oplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} } + \arrow[,,1.42]{$-\ce{H2O}$}{} + \reactant{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\oplus}(-[2]CH_3)-CH_3} } + \end{rxn} +\end{lstlisting} + +\section{Condensation Reaction} +\begin{rxnscheme}[,H]{Condensation Reaction} + \reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}} + \chemand + \reactant{\chemfig{**6(----(-OH)-(-HOCH_2)-)}} + \arrow[,-+>]{}{\ce{H2O}} + \reactant{\chemfig{**6(---(-CH_2-[:-30]O-[:30]CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}} + \arrow[-90,-+>,,dec]{}{\ce{CH2O}} + \anywhere{dec.180,,xshift=-.2em}{\SI{200}{\celsius}} + \reactant[-90,target]{\chemfig{**6(---(-CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}} + \branch[left=of target]{ + \reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}} + \chemand + \reactant{\chemfig{**6(----(-OH)-(-H)-)}} + \arrow[,-+>]{}{\ce{H2O}} + } +\end{rxnscheme} +\begin{lstlisting} + \begin{rxnscheme}[,H]{Condensation Reaction} + \reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}} + \chemand + \reactant{\chemfig{**6(----(-OH)-(-HOCH_2)-)}} + \arrow[,-+>]{}{\ce{H2O}} + \reactant{\chemfig{**6(---(-CH_2-[:-30]O-[:30]CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}} + \arrow[-90,-+>,,dec]{}{\ce{CH2O}} + \anywhere{dec.180,,xshift=-.2em}{\SI{200}{\celsius}} + \reactant[-90,target]{\chemfig{**6(---(-CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}} + \branch[left=of target]{ + \reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}} + \chemand + \reactant{\chemfig{**6(----(-OH)-(-H)-)}} + \arrow[,-+>]{}{\ce{H2O}} + } + \end{rxnscheme} +\end{lstlisting} + +\section{Substitution vs. Elimination} +\begin{rxnscheme}[,H]{Substitution vs. Elimination} + % first reaction: + \reactant[,start_a]{\chemfig{@{H}H-[@{b1}:-60]\chemabove{C}{\scriptstyle\beta}(<[:-100]H)(<:[:-150]H)-[@{b2}]\chemabove{C}{\scriptstyle\alpha}(<[:20]H)(<:[:60]H)-[@{b3}:-60]@{X1}X}} + \arrow{E2}{} + \reactant{\chemfig{H-[:60]C(-[:120]H)=C(-[:60]H)-[:-60]H}} + \chemand + \reactant{\ce{X\om}} + \chemand + \reactant{\chemfig{O(-[:60]H)-[:-60]H}} + % second reaction: + \reactant[start_a.-90,start_b,yshift=-4em]{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-@{C}C(<[:20]H)(<:[:60]H)-[@{b4}:-60]@{X2}X}} + \arrow{S$_\text{N}$2}{} + \reactant{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-C(<[:-80]H)(<:[:-30]H)-[:60]OH}} + \chemand + \reactant{\ce{X\om}} + % nucleophile/base: + \anywhere{start_b.135,nuc,xshift=-3em,yshift=2em}{\chemfig{H-@{O}\chemabove{\lewis{026,O}}{\hspace{5mm}\scrom}}} + % electron movements: + \anywhere{nuc.0}{ + \elmove{O}{90:1.5cm}{H}{180:1cm} + \elmove{b1}{60:1cm}{b2}{90:5mm} + \elmove{b3}{-170:5mm}{X1}{180:5mm} + \elmove{O}{-90:1cm}{C}{100:1.5cm} + \elmove{b4}{-170:5mm}{X2}{180:5mm} + } +\end{rxnscheme} +You may see in line 20 that the \lstinline+\elmove+ commands are put inside of \lstinline+\anywhere+. This is necessary in order to produce the right scheme. But this time you can position \lstinline+\anywhere+ literally anywhere. +\begin{lstlisting} + \newcommand*\scrom{\scriptstyle\ominus} + \begin{rxnscheme}[,H]{Substitution vs. Elimination} + % first reaction: + \reactant[,start_a]{\chemfig{@{H}H-[@{b1}:-60]\chemabove{C}{\scriptstyle\beta}(<[:-100]H)(<:[:-150]H)-[@{b2}]\chemabove{C}{\scriptstyle\alpha}(<[:20]H)(<:[:60]H)-[@{b3}:-60]@{X1}X}} + \arrow{E2}{} + \reactant{\chemfig{H-[:60]C(-[:120]H)=C(-[:60]H)-[:-60]H}} + \chemand + \reactant{\ce{X\om}} + \chemand + \reactant{\chemfig{O(-[:60]H)-[:-60]H}} + % second reaction: + \reactant[start_a.-90,start_b,yshift=-4em]{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-@{C}C(<[:20]H)(<:[:60]H)-[@{b4}:-60]@{X2}X}} + \arrow{S$_\text{N}$2}{} + \reactant{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-C(<[:-80]H)(<:[:-30]H)-[:60]OH}} + \chemand + \reactant{\ce{X\om}} + % nucleophile/base: + \anywhere{start_b.135,nuc,xshift=-3em,yshift=2em}{\chemfig{H-@{O}\chemabove{\lewis{026,O}}{\hspace{5mm}\scrom}}} + % electron movements: + \anywhere{nuc.0}{ + \elmove{O}{90:1.5cm}{H}{180:1cm} + \elmove{b1}{60:1cm}{b2}{90:5mm} + \elmove{b3}{-170:5mm}{X1}{180:5mm} + \elmove{O}{-90:1cm}{C}{100:1.5cm} + \elmove{b4}{-170:5mm}{X2}{180:5mm} + } + \end{rxnscheme} +\end{lstlisting} + +\section{Scheme with three Lines}\label{sec:three_lines} +\begin{rxnscheme}{Scheme with three Lines} + \setatomsep{1.5em} + \footnotesize + \reactant[,start]{\chemfig{EtO-(=[2]O)-[:-60](-Br)-[:-120](=[6]O)-[4]EtO}} + \chemand + \reactant{\chemfig{*6(-=-=-*5(-(=O)-\chemabove{\lewis{4:,N}}{\scrom}(-[4,.7,,,draw=none]\chemabove{K}{\scrop})-(=O)--)=)}} + \arrow{}{} + \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}} + % newline, started with \anywhere: + \anywhere{start.-90,a,xshift=-4em,yshift=-5em}{} + \arrow[a.0,,.6]{\chemabove{\lewis{0:,B}}{\scrom}}{} + \arrow{\ce{R-X}}{} + \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}} + \arrow[,,1.25]{\Hpl/\ce{H2O}}{} + \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]HO_2C)-[::60](=[::60]O)-[::-60]HO_2C)-(=O)--)=)}} + % newline, started with \anywhere: + \anywhere{a.-90,b,yshift=-7em}{} + \arrow[b.0]{\ce{- CO2}}{} + \arrow{\Hpl}{\ce{H2O}} + \reactant{\chemfig{R-(-[6]H)(-[2]C|O_2\om)-NH_3\op}} +\end{rxnscheme} +\begin{lstlisting} + \newcommand*\scrom{\scriptstyle\ominus} + \newcommand*\scrop{\scriptstyle\oplus} + \begin{rxnscheme}{Scheme with three Lines} + \setatomsep{1.5em} + \footnotesize + \reactant[,start]{\chemfig{EtO-(=[2]O)-[:-60](-Br)-[:-120](=[6]O)-[4]EtO}} + \chemand + \reactant{\chemfig{*6(-=-=-*5(-(=O)-\chemabove{\lewis{4:,N}}{\scrom}(-[4,.7,,,draw=none]\chemabove{K}{\scrop})-(=O)--)=)}} + \arrow{}{} + \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}} + % newline, started with \anywhere: + \anywhere{start.-90,a,xshift=-4em,yshift=-5em}{} + \arrow[a.0,,.6]{\chemabove{\lewis{0:,B}}{\scrom}}{} + \arrow{\ce{R-X}}{} + \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}} + \arrow[,,1.25]{\Hpl/\ce{H2O}}{} + \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]HO_2C)-[::60](=[::60]O)-[::-60]HO_2C)-(=O)--)=)}} + % newline, started with \anywhere: + \anywhere{a.-90,b,yshift=-7em}{} + \arrow[b.0]{\ce{- CO2}}{} + \arrow{\Hpl}{\ce{H2O}} + \reactant{\chemfig{R-(-[6]H)(-[2]C|O_2\om)-NH_3\op}} + \end{rxnscheme} +\end{lstlisting} + + +\section{Hydratisation}\label{sec:hydratisation} +\pgfdeclaredecoration{ddbond}{initial}{% + \state{initial}[width=2pt]{% + \pgfpathlineto{\pgfpoint{2pt}{0pt}}% + \pgfpathmoveto{\pgfpoint{1.5pt}{2pt}}% + \pgfpathlineto{\pgfpoint{2pt}{2pt}}% + \pgfpathmoveto{\pgfpoint{2pt}{0pt}}% + }% + \state{final}{% + \pgfpathlineto{\pgfpointdecoratedpathlast}% + }% +}% +\tikzset{lddbond/.style={decorate,decoration=ddbond}}% +\tikzset{rddbond/.style={decorate,decoration={ddbond,mirror}}}% +\newcommand*\delm{\ensuremath{\text{\tiny$\delta\ominus$}}}% +\newcommand*\delp{\ensuremath{\text{\tiny$\delta\oplus$}}}% +A scheme with transition\index{transition} states. + +\begin{rxnscheme}{Hydratisation} + \reactant[,carbonyl_A]{\chemfig{R_2C=O}} + \anywhere{above=of carbonyl_A}{\chemfig{H-[:-30]O-[:30]H}} + \arrow[,<=>]{\tiny slow}{} + \transition[,transition_A]{\chemfig{R_2C(-[2,,2,,densely dotted]\chemabove{O}{\delp}(-[:150]H)-[:30]H)-[:-30,1.15,,,lddbond]O-[6,,,,densely dotted]H-[,,,,densely dotted]\chemabove{A}{\delm}}} + \anywhere{below=of transition_A,,text width=3cm}{(general transition state, acid cat.)} + \arrow[,<=>,.7]{}{} + \reactant{\chemfig{R_2C(-[:60]\chemabove{O}{\scriptstyle\oplus}H_2)-[:-60]OH}} + \arrow[below right,<=>,.7]{$-\Hpl$}{} + \reactant[below right]{\chemfig{R_2C(-[:60]OH)-[:-60]OH}} + \arrow[below left,<=>,.7]{}{\ce{H2O}} + \reactant[below left,zw]{\chemfig{R_2C(-[:60]OH)-[:-60]O|\om}} + \arrow[left,<=>,.7]{}{} + \transition[left,transition_B]{\chemfig{R_2C(-[2,,2,,densely dotted]O(-[:150]H-[4,,,,densely dotted]\chemabove{B}{\delp})-[:30]H)-[:-30,1.15,,,lddbond]\chemabove{O}{\delm}-[6,,,,draw=none]\phantom{H}}} + \anywhere{below=of transition_B,,text width=3cm}{(general transition state, base cat.)} + \arrow[left,<=>]{}{\tiny slow} + \reactant[left,carbonyl_B]{\chemfig{R_2C=O}} + \anywhere{above=of carbonyl_B}{\chemfig{H-[:-30]O-[:30]H}} +\end{rxnscheme} + +For this example we first declare a style for the delocalized double bonds: +\begin{lstlisting} + \pgfdeclaredecoration{ddbond}{initial}{% + \state{initial}[width=2pt]{% + \pgfpathlineto{\pgfpoint{2pt}{0pt}}% + \pgfpathmoveto{\pgfpoint{1.5pt}{2pt}}% + \pgfpathlineto{\pgfpoint{2pt}{2pt}}% + \pgfpathmoveto{\pgfpoint{2pt}{0pt}}% + }% + \state{final}{% + \pgfpathlineto{\pgfpointdecoratedpathlast}% + }% + }% + \tikzset{lddbond/.style={decorate,decoration=ddbond}}% + \tikzset{rddbond/.style={decorate,decoration={ddbond,mirror}}}% +\end{lstlisting} +Now the delocalized double bond can be used via \CF's fifth option (see the \CF manual): +\begin{lstlisting} + \chemfig{-[,,,,lddbond]-[,,,,rddbond]} +\end{lstlisting} +\chemfig{-[,,,,lddbond]-[,,,,rddbond]}\par\medskip +Further we define the two commands +\begin{lstlisting} + \newcommand*\delm{\ensuremath{\text{\tiny$\delta\ominus$}}}% + \newcommand*\delp{\ensuremath{\text{\tiny$\delta\oplus$}}}% +\end{lstlisting} +to use the partial charges without effort. + +Then the whole code looks like follows: +\begin{lstlisting} + \begin{rxnscheme}{Hydratisation} + \reactant[,carbonyl_A]{\chemfig{R_2C=O}} + \anywhere{above=of carbonyl_A}{\chemfig{H-[:-30]O-[:30]H}} + \arrow[,<=>]{\tiny slow}{} + \transition[,transition_A]{\chemfig{R_2C(-[2,,2,,densely dotted]\chemabove{O}{\delp}(-[:150]H)-[:30]H)-[:-30,1.15,,,lddbond]O-[6,,,,densely dotted]H-[,,,,densely dotted]\chemabove{A}{\delm}}} + \anywhere{below=of transition_A,,text width=3cm}{(general transition state, acid cat.)} + \arrow[,<=>,.7]{}{} + \reactant{\chemfig{R_2C(-[:60]\chemabove{O}{\scriptstyle\oplus}H_2)-[:-60]OH}} + \arrow[below right,<=>,.7]{$-\Hpl$}{} + \reactant[below right]{\chemfig{R_2C(-[:60]OH)-[:-60]OH}} + \arrow[below left,<=>,.7]{}{\ce{H2O}} + \reactant[below left,zw]{\chemfig{R_2C(-[:60]OH)-[:-60]O|\om}} + \arrow[left,<=>,.7]{}{} + \transition[left,transition_B]{\chemfig{R_2C(-[2,,2,,densely dotted]O(-[:150]H-[4,,,,densely dotted]\chemabove{B}{\delp})-[:30]H)-[:-30,1.15,,,lddbond]\chemabove{O}{\delm}-[6,,,,draw=none]\phantom{H}}} + \anywhere{below=of transition_B,,text width=3cm}{(general transition state, base cat.)} + \arrow[left,<=>]{\tiny langsam}{} + \reactant[left,carbonyl_B]{\chemfig{R_2C=O}} + \anywhere{above=of carbonyl_B}{\chemfig{H-[:-30]O-[:30]H}} + \end{rxnscheme} +\end{lstlisting} +You can see that \lstinline+\anywhere+ was used several times, either to place molecules or to label molecules. + +\section{Esterification}\label{sec:veresterung} +\begin{rxnscheme}[,H]{Esterification} + \reactant{\chemfig{H-C(=[:60]O)-[:-60]O-H}} + \arrow[,-+>,1.5,protolysis]{\ce{H2SO4}}{\ce{HSO4\om}} + \anywhere{below=of protolysis,,yshift=1em}{\tiny protolysis} + \mesomeric{ + \reactant{\chemfig{H-@{a2}C(-[:60]O-H)(-[:30,.5,,,draw=none]{\scriptstyle\oplus})-[:-60]O-H}} + \marrow + \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\scriptstyle\oplus}-H)-[:-60]O-H}} + } + \branch[below,,xshift=-5em]{ + \arrow[below,<=>]{\chemfig{H-[:120]@{a1}O-[:60]CH_3}}{\tiny addition} + \reactant[below]{\chemfig{H-C(-[2]O-[:30]H)(-\chemabove{O}{\scriptstyle\oplus}(-[:60]CH_3)-[:-60]H)-[6]O-[:-30]H}\elmove{a1}{90:1.5cm}{a2}{0:3cm}} + } + \branch[left,,yshift=-3.5em]{ + \arrow[left,<=>]{}{\tiny protolysis} + } + \reactant[left]{\chemfig{H-C(-[2]O-[:30]H)(-O-CH_3)-[@{b1}6]@{a3}\chemabove{O}{\hspace*{-4mm}\scriptstyle\oplus}(-[:-150]H)-[:-30]H}\elmove{b1}{0:5mm}{a3}{20:5mm}} + \arrow[below,<=>]{\ce{- H2O}}{\tiny elimination} + \mesomeric[below,,xshift=6em]{ + \reactant{\chemfig{H-C(-[:60]O-H)(-[,.5,,,draw=none]{\scriptstyle\oplus})-[:-60]O-CH_3}} + \marrow + \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\scriptstyle\oplus}-H)-[:-60]O-CH_3}} + } + \arrow[,-+>,1.5]{\ce{HSO4\om}}{\ce{H2SO4}} + \reactant{\chemfig{H-C(=[:60]O)-[:-60]O-CH_3}} +\end{rxnscheme} +\begin{lstlisting} + \begin{rxn}{Esterification} + \reactant{\chemfig{H-C(=[:60]O)-[:-60]O-H}} + \arrow[,-+>,1.2,protolysis]{\ce{H2SO4}}{\ce{HSO4\om}} + \anywhere{below=of protolysis,,yshift=1em}{\tiny protolysis} + \mesomeric{ + \reactant{\chemfig{H-@{a2}C(-[:60]O-H)(-[:30,.5,,,draw=none]{\scriptstyle\oplus})-[:-60]O-H}} + \marrow + \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\scriptstyle\oplus}-H)-[:-60]O-H}} + } + \branch[below,,xshift=-5em]{ + \arrow[below,<=>]{\tiny addition}{\chemfig{H-[:120]@{a1}O-[:60]CH_3}} + \reactant[below]{ + \chemfig{H-C(-[2]O-[:30]H)(-\chemabove{O}{\scriptstyle\oplus}(-[:60]CH_3)-[:-60]H)-[6]O-[:-30]H} + \elmove{a1}{90:1.5cm}{a2}{0:3cm} + } + } + \branch[left,,yshift=-3.5em]{ + \arrow[left,<=>]{}{\tiny protolysis} + } + \reactant[left]{ + \chemfig{H-C(-[2]O-[:30]H)(-O-CH_3)-[@{b1}6]@{a3}\chemabove{O}{\hspace*{-4mm}\scriptstyle\oplus}(-[:-150]H)-[:-30]H} + \elmove{b1}{0:5mm}{a3}{20:5mm} + } + \arrow[below,<=>]{\ce{- H2O}}{\tiny elimination} + \mesomeric[below,,xshift=6em]{ + \reactant{\chemfig{H-C(-[:60]O-H)(-[,.5,,,draw=none]{\scriptstyle\oplus})-[:-60]O-CH_3}} + \marrow + \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\scriptstyle\oplus}-H)-[:-60]O-CH_3}} + } + \arrow[,-+>,1.2]{\ce{HSO4\om}}{\ce{H2SO4}} + \reactant{\chemfig{H-C(=[:60]O)-[:-60]O-CH_3}} + \end{rxnscheme} +\end{lstlisting} +\newpage + +\section{Electrophilic Addition}\label{sec:elektrophile_addition} +This scheme forms a circle. +\begin{rxnscheme}[,H]{Electrophilic Addition} + \setarrowlength{3em} + \reactant{\chemfig{>[:-20]C(<[:40])=[6]C(<[:-130])<[:-20]}} + \chemand[,plus] + \reactant{\chemfig{\lewis{246,Br}-\lewis{026,Br}}} + \arrow[plus.-90,<=>]{\footnotesize fast}{} + \reactant[-90,attack]{\chemfig{>[:-20]C(<[:40])=[@{db}6]C(<[:-130])<[:-20]}} + \anywhere{right=of attack}{ + \chemfig{@{Br1}\lewis{246,Br}-[@{b2}]@{Br2}\lewis{026,Br}} + \elmove{db}{20:5mm}{Br1}{135:5mm} + \elmove{b2}{-120:5mm}{Br2}{-120:5mm} + } + % to the left: + \arrow[attack.-135,<=>,2]{\ce{- Br\om}}{\footnotesize slow} + \reactant[-135,carbenium_a]{\vflipnext\chemfig{-[:-30]\chembelow{C}{\scriptstyle\oplus}(-[:30])-[6]C(<[:-150])(<:[:-100])-[:-30]\lewis{137,Br}}} + \anywhere{below=of carbenium_a}{\footnotesize carbenium ion} + \arrow[,<<=>]{}{} + \reactant[,bromonium]{\chemfig{>:[:-60]C?(<[:160])-[6]C(<[:-110])(<:[:-150])-[:30]\lewis{17,Br}?-[4,.5,,,draw=none]{\scriptstyle\oplus}}} + \anywhere{below=of bromonium,,yshift=.35em}{\footnotesize bromonium ion} + % to the right: + \arrow[attack.-45,<=>,2]{\footnotesize slow}{\ce{- Br\om}} + \reactant[-45,carbenium_b]{\chemfig{-[:-30]\chemabove{C}{\scriptstyle\oplus}(-[:30])-[6]C(<:[:-150])(<[:-100])-[:-30]\lewis{157,Br}}} + \anywhere{below=of carbenium_b}{\footnotesize carbenium ion} + \arrow[left,<<=>]{}{} + \mCsetup{reset} +\end{rxnscheme} + +\begin{lstlisting} + \begin{rxnscheme}[,H]{Electrophilic Addition} + \setarrowlength{3em} + \reactant{\chemfig{>[:-20]C(<[:40])=[6]C(<[:-130])<[:-20]}} + \chemand[,plus] + \reactant{\chemfig{\lewis{246,Br}-\lewis{026,Br}}} + \arrow[plus.-90,<=>]{\footnotesize fast}{} + \reactant[-90,attack]{\chemfig{>[:-20]C(<[:40])=[@{db}6]C(<[:-130])<[:-20]}} + \anywhere{right=of attack}{ + \chemfig{@{Br1}\lewis{246,Br}-[@{b2}]@{Br2}\lewis{026,Br}} + \elmove{db}{20:5mm}{Br1}{135:5mm} + \elmove{b2}{-120:5mm}{Br2}{-120:5mm} + } + % to the left: + \arrow[attack.-135,<=>,2]{\ce{- Br\om}}{\footnotesize slow} + \reactant[-135,carbenium_a]{\vflipnext\chemfig{-[:-30]\chembelow{C}{\scriptstyle\oplus}(-[:30])-[6]C(<[:-150])(<:[:-100])-[:-30]\lewis{137,Br}}} + \anywhere{below=of carbenium_a}{\footnotesize carbenium ion} + \arrow[,<<=>]{}{} + \reactant[,bromonium]{\chemfig{>:[:-60]C?(<[:160])-[6]C(<[:-110])(<:[:-150])-[:30]\lewis{17,Br}?-[4,.5,,,draw=none]{\scriptstyle\oplus}}} + \anywhere{below=of bromonium,,yshift=.35em}{\footnotesize bromonium ion} + % to the right: + \arrow[attack.-45,<=>,2]{\footnotesize slow}{\ce{- Br\om}} + \reactant[-45,carbenium_b]{\chemfig{-[:-30]\chemabove{C}{\scriptstyle\oplus}(-[:30])-[6]C(<:[:-150])(<[:-100])-[:-30]\lewis{157,Br}}} + \anywhere{below=of carbenium_b}{\footnotesize carbenium ion} + \arrow[left,<<=>]{}{} + \mCsetup{reset} + \end{rxnscheme} +\end{lstlisting} + +\section{Activation of Fatty Acids}\label{sec:activation_fatty_acid} +\begin{rxnscheme}[,H]{Activation of Fatty Acids} + \reactant[,ATP]{\chemfig{\chemabove{O}{\hspace*{-5mm}\scrom}-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-P(=[2]O)(-[6]\chembelow{O}{\scrom})-@{O1}O-[@{b1}]@{P}P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-CH_2-[6,1.5,1](-[6,.5])(-[:20,1.3]O?[a])<[7](-[2,.5])(-[6]OH)-[,,,,line width=3pt](-[2,.5])(-[6]OH)>[1]?[a](-[6,.5])-[2,1.5]N?[b]-[:18]([:30]*6(-N=-N=(-NH_2)-=))-[:90]-[:162]N=^[:-126]?[b]}} + \anywhere{below right=of ATP,,xshift=-4em,yshift=3em}{\bfseries ATP} + \arrow[below,,1.5]{}{\chemname{\chemfig{R-C(=[:-60]O)-[:60]@{O2}O-[@{b2}]H}}{fatty acid}} + \branch[on chain=going below]{ + \reactant[,pyrophosphat]{ + \chemfig{\chemabove{O}{\hspace*{-5mm}\scrom}-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-P(=[2]O)(-[6]\chembelow{O}{\scrom})-\chemabove{O}{\hspace*{5mm}\scrom}} + \elmove{b1}{100:1cm}{O1}{90:5mm} + \elmove{O2}{135:1cm}{P}{-135:1cm} + \elmove{b2}{-90:5mm}{O2}{-60:5mm} + } + \anywhere{below=of pyrophosphat}{pyrophosphate PP$_\text{i}$} + \chemand + \reactant[,acyl-amp]{\chemfig{R-@{C}C(=[:-60]O)-[@{b3}:60]@{O3}O-P(-[6]\chembelow{O}{\scrom})(=[2]O)-O-CH_2-[6,,1,1]r|ibos|e-[2,1.05,3,1]a|denine}} + \anywhere{below=of acyl-amp}{\bfseries acyl-AMP} + } + \branch[on chain=going below,,xshift=-8em]{ + \arrow[below]{\ce{H2O}}{} + \reactant[below,Pi]{2~\chemfig{HO-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O}} + \anywhere{below right=of Pi}{P$_\text{i}$} + } + \branch[,,xshift=4em]{ + \arrow[below,-+>]{\chemfig{CoA-@{S}S-[@{b4}:-60]H}}{AMP} + \reactant[below,acyl-SCoA]{ + \chemfig{R-C(=[:-60]O)-[:60]S-CoA} + \elmove{S}{45:3cm}{C}{-120:2cm} + \elmove{b3}{135:5mm}{O3}{110:7mm} + \elmove{b4}{-120:7mm}{S}{-100:5mm} + } + \anywhere{below=of acyl-SCoA}{acyl-SCoA} + } +\end{rxnscheme} + +\begin{lstlisting} + \def\scrom{\scriptstyle\ominus} + \begin{rxnscheme}[,H]{Activation of Fatty Acids} + \reactant[,ATP]{\chemfig{\chemabove{O}{\hspace*{-5mm}\scrom}-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-P(=[2]O)(-[6]\chembelow{O}{\scrom})-@{O1}O-[@{b1}]@{P}P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-CH_2-[6,1.5,1](-[6,.5])(-[:20,1.3]O?[a])<[7](-[2,.5])(-[6]OH)-[,,,,line width=3pt](-[2,.5])(-[6]OH)>[1]?[a](-[6,.5])-[2,1.5]N?[b]-[:18]([:30]*6(-N=-N=(-NH_2)-=))-[:90]-[:162]N=^[:-126]?[b]}} + \anywhere{below right=of ATP,,xshift=-4em,yshift=3em}{\bfseries ATP} + \arrow[below,,1.5]{\chemname{\chemfig{R-C(=[:-60]O)-[:60]@{O2}O-[@{b2}]H}}{fatty acid}}{} + \branch[on chain=going below]{ + \reactant[,pyrophosphat]{ + \chemfig{\chemabove{O}{\hspace*{-5mm}\scrom}-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O-P(=[2]O)(-[6]\chembelow{O}{\scrom})-\chemabove{O}{\hspace*{5mm}\scrom}} + \elmove{b1}{100:1cm}{O1}{90:5mm} + \elmove{O2}{135:1cm}{P}{-135:1cm} + \elmove{b2}{-90:5mm}{O2}{-60:5mm} + } + \anywhere{below=of pyrophosphat}{pyrophosphate PP$_\text{i}$} + \chemand + \reactant[,acyl-amp]{\chemfig{R-@{C}C(=[:-60]O)-[@{b3}:60]@{O3}O-P(-[6]\chembelow{O}{\scrom})(=[2]O)-O-CH_2-[6,,1,1]r|ibos|e-[2,1.05,3,1]A|denine}} + \anywhere{below=of acyl-amp}{\bfseries acyl-AMP} + } + \branch[on chain=going below,,xshift=-8em]{ + \arrow[below]{\ce{H2O}}{} + \reactant[below,Pi]{2~\chemfig{HO-P(=[2]O)(-[6]\chembelow{O}{\scrom})-O}} + \anywhere{below right=of Pi}{P$_\text{i}$} + } + \branch[,,xshift=4em]{ + \arrow[below,-+>]{\chemfig{CoA-@{S}S-[@{b4}:-60]H}}{AMP} + \reactant[below,acyl-SCoA]{ + \chemfig{R-C(=[:-60]O)-[:60]S-CoA} + \elmove{S}{135:2cm}{C}{-135:1cm} + \elmove{b3}{-45:5mm}{O3}{-70:7mm} + \elmove{b4}{-120:7mm}{S}{-100:5mm} + } + \anywhere{below=of acyl-SCoA}{acyl-SCoA} + } + \end{rxnscheme} +\end{lstlisting} + +\section{Change the layout with \TikZ}\label{sec:tikz_layout} +\begin{rxnscheme}{Change the layout with \TikZ} + \colorlet{mCgreen}{green!50!gray} + \colorlet{mCblue}{cyan!50!gray} + \colorlet{mCred}{magenta!50!gray} + \tikzset{reactant/.style={draw=#1,fill=#1!10,minimum width=.8\textwidth,inner sep=1em,rounded corners}} + \mCsetup{arrowlength=3em,arrowline=very thick} + \reactant[,,reactant=mCgreen]{ + \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\om)-O-[:-30]-[:30]-[:-30]NH_2}}{\bfseries Phosphatidylethanolamine} + } + \arrow[below]{\textit{N}-acyltransferase}{} + \reactant[below,,reactant=mCblue]{ + \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\om)-O-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60]-[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]-[::60]-[::-60]-[::60]-[6]}}{\bfseries\textit{N}-arachidonoyl-PE} + } + \arrow[below]{Phospholipase D}{} + \reactant[below,,reactant=mCred]{ + \chemname{\chemfig{HO-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60]-[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]-[::60]-[::-60]-[::60]-[6]}}{\bfseries Anandamide} + } + \mCsetup{reset} +\end{rxnscheme} +This is an example for the usage of the \lstinline+<tikz>+ option. Please take a closer look at lines \numlist{5;7;11;15}. +\begin{lstlisting} + \begin{rxnscheme}{Change the layout with \TikZ} + \colorlet{mCgreen}{green!50!gray} + \colorlet{mCblue}{cyan!50!gray} + \colorlet{mCred}{magenta!50!gray} + !!\tikzset{reactant/.style={draw=#1,fill=#1!10,minimum width=.8\textwidth,inner sep=1em,rounded corners}}!! + \mCsetup{arrowlength=3em,arrowline=very thick} + \reactant[,,!!reactant=mCgreen!!]{ + \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\om)-O-[:-30]-[:30]-[:-30]NH_2}}{\bfseries Phosphatidylethanolamine} + } + \arrow[below]{}{\textit{N}-acyltransferase} + \reactant[below,,!!reactant=mCblue!!]{ + \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\om)-O-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60] -[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]- [::60]-[::-60]-[::60]-[6]}}{\bfseries\textit{N}-arachidonoyl-PE} + } + \arrow[below]{}{Phospholipase D} + \reactant[below,,!!reactant=mCred!!]{ + \chemname{\chemfig{HO-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60] -[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]- [::60]-[::-60]-[::60]-[6]}}{\bfseries Anandamide} + } + \mCsetup{reset} + \end{rxnscheme} +\end{lstlisting} + +\section{Claisen-Kondensation} +\begin{rxnscheme}{Claisen-Kondensation} + \colorlet{mCred}{red!50!gray} + \setatomsep{1.5em} + % Ergebnis: + \branch[,one,draw=mCred,fill=mCred!10,rounded corners,inner sep=.5em]{ + \reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}} + \chemand + \reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}} + \arrow[,,2]{\ce{NaOEt}, \ce{EtOH}}{} + \reactant{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}} + } + % Mechanismus: + \branch[-90,,xshift=-13.5em]{ + \arrow[-90,<<=>]{\ce{{}\om OEt}}{} + } + \mesomeric[-90,two,xshift=4.5em]{ + \reactant{\chemfig{[:30](-[:150,.3,,,draw=none]@{C1}\scriptstyle\ominus)-(=[2]O)-[:-30]O--[:-30]}} + \marrow + \reactant{\chemfig{[:30]=(-[2]O|\om)-[:-30]O--[:-30]}} + } + \chemand + \reactant{\ce{EtOH}} + \branch[two.-90,three,xshift=-5.5em]{ + \arrow[-90,<=>,,,both]{\chemfig[][scale=.7]{[:30]-@{C2}(=[@{b1}2]O@{O1})-[:-30]O--[:-30]}}{} + } + \reactant[three.-90]{\chemfig{-(-[@{b2}2]@{O2}O|\om)(-[6]-[:-30](=[6]O)-[:30]O-[:-30]-[:30])-[@{b3}]@{O3}O-[:30]-[:-30]}} + \arrow[,<=>]{}{} + \reactant[,four]{\chemfig{[:30]-(=[2]O)-[:-30]@{C3}(-[:-120]H)(-[@{b4}:-60]H@{H})-(=[2]O)-[:-30]O--[:-30]}} + \chemand + \reactant{\chemfig{\om @{O4}OEt}} + \arrow[four.-90]{}{} + \mesomeric[-90]{ + \reactant{\chemfig{[:30]-(=[2]O)-[:-30]=(-[2]O|\om)-[:-30]O--[:-30]}} + \marrow + \reactant{\chemfig{[:30]-(=[2]O)-[:-30](-[6,.3,,,draw=none]\scriptstyle\ominus)-(=[2]O)-[:-30]O--[:-30]}} + \marrow + \reactant{\chemfig{[:30]-(-[2]O|\om)=[:-30]-(=[2]O)-[:-30]O--[:-30]}} + } + \arrow[-90]{\Hpl, \ce{H2O}}{} + \reactant[-90]{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}} + \anywhere{one.0}{ + \elmove{C1}{-100:2cm}{C2}{-90:2cm} + \elmove{b1}{10:5mm}{O1}{0:5mm} + \elmove{O2}{180:5mm}{b2}{180:5mm} + \elmove{b3}{80:5mm}{O3}{90:5mm} + \elmove{b4}{0:5mm}{C3}{0:7mm} + \elmove{O4}{-90:1cm}{H}{-45:1cm} + } +\end{rxnscheme} + +\begin{lstlisting} + \begin{rxnscheme}{Claisen-Kondensation} + \colorlet{mCred}{red!50!gray} + \setatomsep{1.5em} + % Ergebnis: + \branch[,one,draw=mCred,fill=mCred!10,rounded corners,inner sep=.5em]{ + \reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}} + \chemand + \reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}} + \arrow[,,2]{\ce{NaOEt}, \ce{EtOH}}{} + \reactant{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}} + } + % Mechanismus: + \branch[-90,,xshift=-13.5em]{ + \arrow[-90,<=>]{\ce{{}\om OEt}}{} + } + \mesomeric[-90,two,xshift=4.5em]{ + \reactant{\chemfig{[:30](-[:150,.3,,,draw=none]@{C1}\scriptstyle\ominus)-(=[2]O)-[:-30]O--[:-30]}} + \marrow + \reactant{\chemfig{[:30]=(-[2]O|\om)-[:-30]O--[:-30]}} + } + \chemand + \reactant{\ce{EtOH}} + \branch[two.-90,three,xshift=-5.5em]{ + \arrow[-90,<=>,,,both]{\chemfig[][scale=.7]{[:30]-@{C2}(=[@{b1}2]O@{O1})-[:-30]O--[:-30]}}{} + } + \reactant[three.-90]{\chemfig{-(-[@{b2}2]@{O2}O|\om)(-[6]-[:-30](=[6]O)-[:30]O-[:-30]-[:30])-[@{b3}]@{O3}O-[:30]-[:-30]}} + \arrow[,<=>]{}{} + \reactant[,four]{\chemfig{[:30]-(=[2]O)-[:-30]@{C3}(-[:-120]H)(-[@{b4}:-60]H@{H})-(=[2]O)-[:-30]O--[:-30]}} + \chemand + \reactant{\chemfig{\om @{O4}OEt}} + \arrow[four.-90]{}{} + \mesomeric[-90]{ + \reactant{\chemfig{[:30]-(=[2]O)-[:-30]=(-[2]O|\om)-[:-30]O--[:-30]}} + \marrow + \reactant{\chemfig{[:30]-(=[2]O)-[:-30](-[6,.3,,,draw=none]\scriptstyle\ominus)-(=[2]O)-[:-30]O--[:-30]}} + \marrow + \reactant{\chemfig{[:30]-(-[2]O|\om)=[:-30]-(=[2]O)-[:-30]O--[:-30]}} + } + \arrow[-90]{\Hpl, \ce{H2O}}{} + \reactant[-90]{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}} + \anywhere{one.0}{ + \elmove{C1}{-100:2cm}{C2}{-90:2cm} + \elmove{b1}{10:5mm}{O1}{0:5mm} + \elmove{O2}{180:5mm}{b2}{180:5mm} + \elmove{b3}{80:5mm}{O3}{90:5mm} + \elmove{b4}{0:5mm}{C3}{0:7mm} + \elmove{O4}{-90:1cm}{H}{-45:1cm} + } + \end{rxnscheme} +\end{lstlisting} + + +\section{Extensive Synthesis}\label{sec:tikzsynthese} +As last example we can create extensive syntheses, using the \lstinline=\merge= command. +\begin{rxnscheme}[,,,.8]{Extensive Synthesis} + \setatomsep{1.5em} + \branch[,start_left]{ + \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}} + \arrow[below]{\ce{HBr}}{} + \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}} + } + \branch[right=of start_left,start_center,yshift=1em]{ + \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}} + \arrow[below]{\ce{NaOH}}{\ce{Zn}} + \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}} + } + \branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{ + \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{3-methyl-2-butenoic acid}} + \arrow[below]{\ce{CH3OH}}{} + \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}} + } + \branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{ + \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}} + } + \branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{ + \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\ominus)-[::-60]CO_2CH_3}} + \arrow[below,,.5]{}{} + \arrow[below,,.5]{\ce{KOH}}{} + \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\emph{trans}-chrysanthemum acid}} + } + \merge{target_one}{start_left}{start_center} + \merge[\ce{NaOCH3}]{target_two}{target_one}{start_right} +\end{rxnscheme} +\begin{lstlisting} + \begin{rxnscheme}[,,,.8]{Extensive Synthesis} + \setatomsep{1.5em} + \branch[,start_left]{ + \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}} + \arrow[below]{\ce{HBr}}{} + \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}} + } + \branch[right=of start_left,start_center,yshift=1em]{ + \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}} + \arrow[below]{\ce{NaOH}}{\ce{Zn}} + \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}} + } + \branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{ + \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{3-methyl-2-butenoic acid}} + \arrow[below]{\ce{CH3OH}}{} + \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}} + } + \branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{ + \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}} + } + \branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{ + \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\ominus)-[::-60]CO_2CH_3}} + \arrow[below,,.5]{}{} + \arrow[below,,.5]{\ce{KOH}}{} + \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\emph{trans}-chrysanthemum acid}} + } + \merge{target_one}{start_left}{start_center} + \merge[\ce{NaOCH3}]{target_two}{target_one}{start_right} + \end{rxnscheme} +\end{lstlisting} +Let's go through the code, piece by piece. +\begin{lstlisting} + \begin{rxnscheme}[,,,.8]{Extensive Synthesis} + \setatomsep{1.5em} + \branch[,start_left]{ + \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}} + \arrow[below]{\ce{HBr}}{} + \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}} + } +\end{lstlisting} +In lines \numlist{1;2} we begin the environment and make sure, that the formul\ae\ don't become to big. In lines \numrange{3}{7} the first two reactants are written (lines \numlist{4;6}) and connected with an arrow (line \num{5}). +\begin{rxn}[,.8] + \setatomsep{1.5em} + \branch[,start_left]{ + \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}} + \arrow[below]{\ce{HBr}}{} + \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}} + } +\end{rxn} +\begin{lstlisting}[firstnumber=8] + \branch[right=of start_left,start_center,yshift=1em]{ + \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}} + \arrow[below]{\ce{NaOH}}{\ce{Zn}} + \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}} + } +\end{lstlisting} +In the following lines \numrange{8}{12}, we create the second branch of the synthesis. +\begin{rxn}[,.8] + \setatomsep{1.5em} + \branch[,start_left]{ + \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}} + \arrow[below]{\ce{HBr}}{} + \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}} + } + \branch[right=of start_left,start_center,yshift=1em]{ + \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}} + \arrow[below]{\ce{NaOH}}{\ce{Zn}} + \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}} + } +\end{rxn} +\begin{lstlisting}[firstnumber=13] + \branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{ + \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{3-methyl-2-butenoic acid}} + \arrow[below]{\ce{CH3OH}}{} + \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}} + } + \branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{ + \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}} + } +\end{lstlisting} +In lines \numrange{13}{20} we create the third branch and the product of the first two branches. +\begin{rxn}[,.8] + \setatomsep{1.5em} + \branch[,start_left]{ + \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}} + \arrow[below]{\ce{HBr}}{} + \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}} + } + \branch[right=of start_left,start_center,yshift=1em]{ + \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}} + \arrow[below]{\ce{NaOH}}{\ce{Zn}} + \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}} + } + \branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{ + \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{3-methyl-2-butenoic acid}} + \arrow[below]{\ce{CH3OH}}{} + \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}} + } + \branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{ + \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}} + } +\end{rxn} +\begin{lstlisting}[firstnumber=21] + \branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{ + \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\ominus)-[::-60]CO_2CH_3}} + \arrow[below,,.5]{}{} + \arrow[below,,.5]{\ce{KOH}}{} + \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\emph{trans}-chrysanthemum acid}} + } +\end{lstlisting} +In lines \numrange{21}{26} we create the last branch. +\begin{rxn}[,.8] + \dummy[start_left] + \branch[right=of start_left,start_right,xshift=13em,yshift=-4em]{ + \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}} + } + \branch[below=of start_left,target_one,xshift=5em]{ + \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}} + } + \branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{ + \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\ominus)-[::-60]CO_2CH_3}} + \arrow[below,,.5]{}{} + \arrow[below,,.5]{\ce{KOH}}{} + \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\emph{trans}-chrysanthemum acid}} + } +\end{rxn} +Finally, the different branches are merged, the second merging arrow gets a label and the environment is ended. +\begin{lstlisting}[firstnumber=27] + \merge{target_one}{start_left}{start_center} + \merge[\ce{NaOCH3}]{target_two}{target_one}{start_right} + \end{rxnscheme} +\end{lstlisting} +\end{document}
\ No newline at end of file |